[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)Br

InChI

InChI=1S/C19H18BrNO4/c1-24-17-7-6-14(10-16(17)20)19(23)25-12-18(22)21-9-8-13-4-2-3-5-15(13)11-21/h2-7,10H,8-9,11-12H2,1H3